Bioactivity Information | MolBiC

Brief Information of the Compound and Protein

Compound Name

Compound Info

4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile

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PubChem ID

CID: 193962

SID: 14856802

Canonical SMILES	Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show/Hide
Compound Formula	C20H15BrN6O

Compound Structure

Protein Name

Protein Info

Reverse transcriptase/RNaseH

Protein Classification

Enzyme

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Hydrolase

Uniprot ID

Q72547

Gene Name

POL

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000247	MT-4 Cell Line Info	Homo sapiens (Human)	11
1	EC50 = 2.35 nM	TI LI LO TS
2	EC50 = 4 nM	TI LI LO TS
3	EC50 = 5.38 nM	TI LI LO TS
4	EC50 = 5.39 nM	TI LI LO TS
5	EC50 = 14.4 nM	TI LI LO TS
6	EC50 = 15.7 nM	TI LI LO TS
7	EC50 = 17 nM	TI LI LO TS
8	EC50 = 20.5 nM	TI LI LO TS
9	EC50 = 29.4 nM	TI LI LO TS
10	EC50 = 34.4 nM	TI LI LO TS
11	EC50 = 46 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 3.4 nM
2	EC50 = 10.7 nM
3	EC50 = 18.9 nM
4	IC50 = 0.6 nM
5	IC50 = 8 nM
6	IC50 = 10 nM
7	IC50 = 11 nM
8	IC50 = 12 nM
9	IC50 = 13 nM
10	IC50 = 17 nM
11	IC50 = 19 nM
12	IC50 = 20 nM
13	IC50 = 25 nM
14	IC50 = 26 nM
15	IC50 = 32 nM
16	IC50 = 46 nM
17	IC50 = 48 nM
18	IC50 = 59 nM
19	IC50 = 68 nM
20	IC50 = 71 nM
21	IC50 = 83 nM
22	IC50 = 89 nM
23	IC50 = 97 nM
24	IC50 = 126 nM
25	IC50 = 130 nM
26	IC50 = 164 nM
27	IC50 = 175 nM
28	IC50 = 180 nM
29	IC50 = 350 nM
30	IC50 = 550 nM
31	IC50 = 694.8 nM
32	IC50 = 750 nM
33	IC50 = 980 nM
34	IC50 = 1000 nM
35	IC50 = 3100 nM
36	IC50 = 6500 nM